BAS 13320731
TL;DR: BAS 13320731 (CAS 879568-60-2) is a chemical compound with molecular formula C21H22ClN3O5 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
Also Known As: BAS 13320731, 2-(4-chloro-2-methylphenoxy)-N-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-N-methylacetamide, 2-(4-chloro-2-methylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide, 2-(4-chloro-2-methylphenoxy)-N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylacetamide
| Molecular Formula | C21H22ClN3O5 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.75302 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.1248 |
| Heavy Atoms | 30 |
| Complexity | 1037.2313 |
Chemical Identifiers
| CAS Number | 879568-60-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)N(C)CC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 13320731 (CAS 879568-60-2), with molecular formula C21H22ClN3O5 and molecular weight 431.12 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.
Chemical Property Profile of BAS 13320731
Property Insights of BAS 13320731
The XLogP value of 3.75302 indicates that BAS 13320731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13320731. Following Lipinski's Rule of Five, BAS 13320731 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13320731?
The CAS number of BAS 13320731 is 879568-60-2.
What is the molecular formula of BAS 13320731?
The molecular formula of BAS 13320731 is C21H22ClN3O5.
What is the molecular weight of BAS 13320731?
The molecular weight of BAS 13320731 is 431.12 g/mol.
Where can I buy BAS 13320731?
You can request a quote for BAS 13320731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13320731?
Yes, KEHONG BIO provides custom synthesis services for BAS 13320731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.